Sugi Predict

Sugi Predict / Compounds / SCHEMBL3074071

SCHEMBL3074071

SCHEMBL3074071

CCOC(=O)c1ccc(Cn2nc(C)c(-c3ccc(C#N)c(Cl)c3)c2C)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TSHR P16473 4/20 0.43
▸ AR P10275 5/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 4/20 0.41
▸ USP2 O75604 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ NPC1 O15118 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3080587 0.89 HTT (0.47) ALDH1A1KMT2AL3MBTL1TSHRAR
SCHEMBL3070141 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AL3MBTL1TSHRAR
SCHEMBL3070098 0.86 MAPT (0.48) ALDH1A1KMT2AL3MBTL1TSHRAR
SCHEMBL3078791 0.83 RAB9A (0.46) ALDH1A1KMT2AL3MBTL1ARMAPT
SCHEMBL3070072 0.81 KDM4E (0.39) ALDH1A1KMT2AL3MBTL1ARMAPT
SCHEMBL3077532 0.81 GAA (0.48) ALDH1A1KMT2AL3MBTL1ARPOLB
SCHEMBL3074086 0.80 RAB9A (0.43) ALDH1A1KMT2AL3MBTL1ARMAPT
SCHEMBL3081964 0.79 AR (0.44) ALDH1A1KMT2AL3MBTL1TSHRAR
SCHEMBL3076106 0.79 AR (0.56) ARPOLB
SCHEMBL3069070 0.79 AR (0.46) ARPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 — — EP disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 — — EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 ALDH1A1 809/4885KMT2A 1764/4885L3MBTL1 4174/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 ALDH1A1 816/4885KMT2A 1801/4885L3MBTL1 4199/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.